9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H26N4O3 — CID 70735155

IUPAC9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2
InChIInChI=1S/C19H26N4O3/c1-26-8-7-22-11-14-4-5-16(22)13-21(10-14)12-15-9-18(25)23-6-2-3-17(24)19(23)20-15/h2-3,6,9,14,16,24H,4-5,7-8,10-13H2,1H3/t14-,16+/m0/s1
InChIKeyBDWDYRCTBQZBPI-GOEBONIOSA-N
MW358.44 g/mol
LogP0.94
Rot. Bonds5

About 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70735155) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70735155
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2
InChIInChI=1S/C19H26N4O3/c1-26-8-7-22-11-14-4-5-16(22)13-21(10-14)12-15-9-18(25)23-6-2-3-17(24)19(23)20-15/h2-3,6,9,14,16,24H,4-5,7-8,10-13H2,1H3/t14-,16+/m0/s1
InChIKeyBDWDYRCTBQZBPI-GOEBONIOSA-N
XLogP0.94
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 70735155) is 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is COCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2.
What is the InChIKey of 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BDWDYRCTBQZBPI-GOEBONIOSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-26-8-7-22-11-14-4-5-16(22)13-21(10-14)12-15-9-18(25)23-6-2-3-17(24)19(23)20-15/h2-3,6,9,14,16,24H,4-5,7-8,10-13H2,1H3/t14-,16+/m0/s1.
What are the key properties of 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70735155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).